smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(C=Cc3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])o2)c1 ZINC000030843432 568895234 /nfs/dbraw/zinc/89/52/34/568895234.db2.gz KYCKAUTVNACJRC-IWQZZHSRSA-N -2 2 413.298 1.798 40 5 HDBBLL